Automated Data Augmentations for Graph Classification
Abstract
Data augmentations are effective in improving the invariance of learning machines. We argue that the core challenge of data augmentations lies in designing data transformations that preserve labels. This is relatively straightforward for images, but much more challenging for graphs. In this work, we propose GraphAug, a novel automated data augmentation method aiming at computing label-invariant augmentations for graph classification. Instead of using uniform transformations as in existing studies, GraphAug uses an automated augmentation model to avoid compromising critical label-related information of the graph, thereby producing label-invariant augmentations at most times. To ensure label-invariance, we develop a training method based on reinforcement learning to maximize an estimated label-invariance probability. Experiments show that GraphAug outperforms previous graph augmentation methods on various graph classification tasks.
Benchmark Results
Tested on 6 datasets 9 baseline values reported too low
Tables show presented results in global context (best 3 papers + GCN + MLP).
TU Dortmund
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | MSH-GNN | 0.9910
±0.0030 | |
| 2 | ID-GNN+BEC | 0.9830
±0.0360 | |
| 3 | SupCosine | 0.9830
±0.0250 | |
| 39 | GIN | 0.9330
±0.0290 | |
| 116 | DropEdge | 0.9100
±0.0570 best reported | best at pub: ifMixup: Interpolating Graph Pair to Regularize Graph Classification (AAAI 2021) best today: Understanding and Extending Subgraph GNNs by Rethinking Their Symmetries (NeurIPS 2022) |
| 178 | AD-GCL | 0.9028
±0.0401 best reported | best at pub: Graph Self-Supervised Learning: A Survey (2021) best today: Unifying Graph Contrastive Learning via Graph Message Augmentation (2024) |
| 222 | JOAOv2 | 0.8967
±0.0524 best reported | best at pub: Graph Contrastive Learning Automated (ICML 2021) best today: Unifying Graph Contrastive Learning via Graph Message Augmentation (2024) |
| 302 | AutoGCL | 0.8864
±0.0108 best reported | |
| 403 | MLP | 0.8660
±0.0495 | |
| 442 | GraphAug | 0.8530
±0.0080 | This paper |
| 510 | FLAG | 0.8350
±0.0150 | This paper |
| 538 | No augmentation | 0.8270
±0.0130 | This paper |
| 600 | G-Mixup | 0.8050
±0.0200 | This paper |
| 626 | M-Mixup | 0.7980
±0.0150 | This paper |
| 651 | Uniform MaskNF | 0.7880
±0.0120 | This paper |
| 652 | Uniform DropNode | 0.7870
±0.0030 | This paper |
| 666 | Uniform Mixture | 0.7790
±0.0140 | This paper |
| 688 | Uniform PerturbEdge | 0.7640
±0.0080 | This paper |
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | WL-MLP | 0.9954 | |
| 2 | GIN | 0.9934 | |
| 3 | GCN | 0.9727 | |
| 117 | DropEdge | 0.8230
±0.0010 best reported | best at pub: ifMixup: Interpolating Graph Pair to Regularize Graph Classification (AAAI 2021) best today: SoftEdge: Regularizing Graph Classification with Random Soft Edges (2022) |
| 133 | AutoGCL | 0.8200
±0.0029 best reported | |
| 131 | GraphSAGE | 0.8200
±0.0100 | |
| 146 | JOAOv2 | 0.8170
±0.0026 best reported | best at pub: Graph Contrastive Learning Automated (ICML 2021) best today: Label-invariant Augmentation for Semi-Supervised Graph Classification (NeurIPS 2022) |
| 148 | GraphAug | 0.8160
±0.0010 | This paper |
| 205 | No augmentation | 0.8040
±0.0030 | This paper |
| 204 | FLAG | 0.8040
±0.0020 | This paper |
| 213 | M-Mixup | 0.8030
±0.0030 | This paper |
| 252 | Uniform MaskNF | 0.7940
±0.0020 | This paper |
| 280 | Uniform DropNode | 0.7870
±0.0030 | This paper |
| 306 | Uniform Mixture | 0.7830
±0.0030 | This paper |
| 312 | G-Mixup | 0.7820
±0.0158 best reported | best today: Graph Mixup with Soft Alignments (ICML 2023) |
| 409 | AD-GCL | 0.7518
±0.0031 best reported | best today: GIMM: InfoMin-Max for Automated Graph Contrastive Learning (2023) |
| 573 | Uniform PerturbEdge | 0.5450
±0.0060 | This paper |
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | MSH-GNN | 0.9410
±0.0330 | |
| 2 | GRDL | 0.8260
±0.0120 | |
| 3 | GMN | 0.8225 | |
| 32 | GIN | 0.7880
±0.0410 | |
| 149 | MLP | 0.7600
±0.0320 | |
| 168 | AutoGCL | 0.7580
±0.0036 best reported | |
| 174 | G-Mixup | 0.7574
±0.0312 best reported | best today: Fused Gromov-Wasserstein Graph Mixup for Graph-level Classifications (NeurIPS 2023) |
| 180 | M-Mixup | 0.7565
±0.0451 best reported | best today: Fused Gromov-Wasserstein Graph Mixup for Graph-level Classifications (NeurIPS 2023) |
| 193 | DropEdge | 0.7550
±0.0020 best reported | best at pub: ifMixup: Interpolating Graph Pair to Regularize Graph Classification (AAAI 2021) best today: SoftEdge: Regularizing Graph Classification with Random Soft Edges (2022) |
| 297 | FLAG | 0.7431
±0.0421 best reported | best today: Cross-Domain Graph Data Scaling: A Showcase with Diffusion Models (NeurIPS 2024) |
| 303 | GraphAug | 0.7421
±0.0370 best reported | best today: Cross-Domain Graph Data Scaling: A Showcase with Diffusion Models (NeurIPS 2024) Difference within reported uncertainty; not counted as underperformance. |
| 309 | JOAOv2 | 0.7407
±0.0110 best reported | best at pub: Adversarial Graph Augmentation to Improve Graph Contrastive Learning (NeurIPS 2021) best today: Fractal Graph Contrastive Learning (2025) |
| 338 | AD-GCL | 0.7360
±0.0070 best reported | |
| 446 | Uniform DropNode | 0.7070
±0.0040 | This paper |
| 447 | Uniform Mixture | 0.7070
±0.0040 | This paper |
| 454 | No augmentation | 0.7040
±0.0040 | This paper |
| 456 | Uniform MaskNF | 0.7020
±0.0080 | This paper |
| 476 | Uniform PerturbEdge | 0.6680
±0.0060 | This paper |
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | WL-MLP | 0.9792 | |
| 2 | MSH-GNN | 0.9640
±0.0070 | |
| 3 | CoCN | 0.8722
±0.0013 | |
| 19 | GraphAug | 0.8290
±0.0020 | This paper |
| 23 | GCN | 0.8260
±0.0220 | |
| 32 | JOAOv2 | 0.8216
±0.0017 best reported | best at pub: Adversarial Graph Augmentation to Improve Graph Contrastive Learning (NeurIPS 2021) best today: Label-invariant Augmentation for Semi-Supervised Graph Classification (NeurIPS 2022) |
| 46 | Uniform PerturbEdge | 0.8160
±0.0030 | This paper |
| 51 | Uniform MaskNF | 0.8150
±0.0020 | This paper |
| 52 | Uniform DropNode | 0.8150
±0.0040 | This paper |
| 53 | Uniform Mixture | 0.8150
±0.0030 | This paper |
| 74 | DropEdge | 0.8120
±0.0030 | This paper |
| 77 | M-Mixup | 0.8110
±0.0050 | This paper |
| 78 | G-Mixup | 0.8110
±0.0090 | This paper |
| 99 | No augmentation | 0.8060
±0.0030 | This paper |
| 110 | FLAG | 0.8030
±0.0060 | This paper |
| 151 | MLP | 0.7920
±0.0240 | |
| 204 | AutoGCL | 0.7716
±0.0148 best reported | best today: Unifying Graph Contrastive Learning via Graph Message Augmentation (2024) |
| 233 | AD-GCL | 0.7582
±0.0026 best reported | best at pub: Graph Self-Supervised Learning: A Survey (2021) best today: Unifying Graph Contrastive Learning via Graph Message Augmentation (2024) |
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | ID-GNN+BEC | 0.8150
±0.0240 | |
| 2 | GIN+BEC | 0.8080
±0.0330 | |
| 3 | GCN+BEC | 0.7990
±0.0340 | |
| 4 | GCN | 0.7980
±0.0230 | |
| 21 | GraphAug | 0.7620
±0.0040 | This paper |
| 43 | G-Mixup | 0.7480
±0.0040 | This paper |
| 44 | FLAG | 0.7470
±0.0080 | This paper |
| 67 | M-Mixup | 0.7360
±0.0040 | This paper |
| 74 | DropEdge | 0.7330
±0.0120 | This paper |
| 73 | AutoGCL | 0.7330
±0.0040 best reported | best today: Unifying Graph Contrastive Learning via Graph Message Augmentation (2024) |
| 80 | No augmentation | 0.7310
±0.0040 | This paper |
| 83 | Uniform Mixture | 0.7300
±0.0090 | This paper |
| 91 | Uniform DropNode | 0.7280
±0.0060 | This paper |
| 92 | Uniform PerturbEdge | 0.7280
±0.0070 | This paper |
| 109 | Uniform MaskNF | 0.7200
±0.0060 | This paper |
| 115 | JOAOv2 | 0.7160
±0.0086 best reported | best today: Unifying Graph Contrastive Learning via Graph Message Augmentation (2024) Difference within reported uncertainty; not counted as underperformance. |
| 119 | AD-GCL | 0.7150
±0.0100 best reported | best today: Smoothed Graph Contrastive Learning via Seamless Proximity Integration (2024) Difference within reported uncertainty; not counted as underperformance. |
OGB
| # | Model | ROC-AUC ↑ | Paper |
|---|---|---|---|
| 1 | Multi-RF Fusion with Multi-GNN Blending | 0.8476
±0.0002 | |
| 2 | HyperFusion | 0.8475
±0.0003 | |
| 3 | PAS+FPs | 0.8420
±0.0015 | |
| 9 | GatedGCN | 0.8090
±0.0160 | |
| 109 | GIN | 0.7780
±0.0182 | |
| 127 | M-Mixup | 0.7742
±0.0077 best reported | best today: Graph Mixup with Soft Alignments (ICML 2023) |
| 128 | G-Mixup | 0.7742
±0.0145 best reported | best today: Graph Mixup with Soft Alignments (ICML 2023) Difference within reported uncertainty; not counted as underperformance. |
| 129 | GraphAug | 0.7740
±0.0100 | This paper |
| 177 | FLAG | 0.7650
±0.0110 | This paper |
| 188 | DropEdge | 0.7620
±0.0100 | This paper |
| 189 | AD-GCL | 0.7620
±0.0130 | This paper |
| 219 | No augmentation | 0.7560
±0.0140 | This paper |
| 225 | Uniform PerturbEdge | 0.7550
±0.0130 | This paper |
| 247 | Uniform Mixture | 0.7460
±0.0100 | This paper |
| 250 | JOAOv2 | 0.7440
±0.0140 | This paper |
| 257 | Uniform MaskNF | 0.7410
±0.0100 | This paper |
| 285 | Uniform DropNode | 0.7170
±0.0110 | This paper |
| 288 | AutoGCL | 0.7040
±0.0160 | This paper |
